1,3-Diethylurea
1,3-Diethylurea structure
|
Common Name | 1,3-Diethylurea | ||
|---|---|---|---|---|
| CAS Number | 623-76-7 | Molecular Weight | 116.162 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 263.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H12N2O | Melting Point | 112-113 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 121.1±18.9 °C | |
Summary: 1,3-Diethylurea, also known as 1,3-Diethylurea, has a CAS number of 623-76-7, with a molecular formula of C5H12N2O and a molecular weight of 116.162. It appears as a white to almost white powder or crystalline substance with a melting point of 112-113°C and a boiling point of 263.0±0.0°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,3-Diethylurea |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 263.0±0.0 °C at 760 mmHg |
| Melting Point | 112-113 °C(lit.) |
| Molecular Formula | C5H12N2O |
| Molecular Weight | 116.162 |
| Flash Point | 121.1±18.9 °C |
| Exact Mass | 116.094963 |
| PSA | 41.13000 |
| LogP | 0.05 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.429 |
| InChIKey | ZWAVGZYKJNOTPX-UHFFFAOYSA-N |
| SMILES | CCNC(=O)NCC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | F,T |
|---|---|
| Risk Phrases | 11-23/24/25-36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | YS9354000 |
| HS Code | 2924199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:75-04-7
CAS#:39076-43-2
CAS#:109-90-0
CAS#:7098-07-9
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CAS#:616-47-7
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CAS#:31410-01-2
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CAS#:557-66-4![N-[(Ethylamino)carbonyl]-4-methylbenzenesulfonamide structure](https://image.chemsrc.com/caspic/217/1467-23-8.png)
CAS#:1467-23-8
CAS#:41740-15-2
CAS#:89073-60-9
CAS#:625-50-3
CAS#:57012-86-9
CAS#:15909-81-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924199090 |
|---|---|
| Summary | 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| n,n'-diethylurea |
| SYM-DIETHYLUREA |
| 1,3-Diethylurea |
| Urea,1,3-diethyl |
| 1,3-diethyl-2-urea |
| Diethylurea,1,3 |
| Diethylurea |
| 1,3-diethyl-ure |
| EINECS 210-811-3 |
| 1,2-diethylurea |
| 1,3-diethyl urea |
| MFCD00009028 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1,3-Diethylurea? |
| A: InChIKey of 1,3-Diethylurea is ZWAVGZYKJNOTPX-UHFFFAOYSA-N. |
| Q: What is the LogP of 1,3-Diethylurea? |
| A: LogP of 1,3-Diethylurea is 0.05. |
| Q: What is the molecular weight of 1,3-Diethylurea? |
| A: Molecular weight of 1,3-Diethylurea is 116.162. |
| Q: What are the downstream products of 1,3-Diethylurea? |
| A: Related downstream products(CAS) of 1,3-Diethylurea: 52998-22-8;557-66-4;109-90-0;1467-23-8;75-04-7;41740-15-2;89073-60-9;625-50-3;57012-86-9;15909-81-6. |
| Q: What is the polar surface area (PSA) of 1,3-Diethylurea? |
| A: Polar surface area (PSA) of 1,3-Diethylurea is 41.13000. |
| Q: What is the CAS number of 1,3-Diethylurea? |
| A: CAS number of 1,3-Diethylurea is 623-76-7. |
| Q: What is the boiling point of 1,3-Diethylurea? |
| A: Boiling point of 1,3-Diethylurea is 263.0±0.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 1,3-Diethylurea? |
| A: SMILES notation of 1,3-Diethylurea is CCNC(=O)NCC. |
| Q: What are the upstream materials of 1,3-Diethylurea? |
| A: Related upstream materials(CAS) of 1,3-Diethylurea: 75-04-7;39076-43-2;109-90-0;7098-07-9;935-02-4;616-47-7;201230-82-2;31410-01-2;868-84-8;593-77-1. |
| Q: What is the melting point of 1,3-Diethylurea? |
| A: Melting point of 1,3-Diethylurea is 112-113 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |